Details of CH3103 (Autumn 2025)
| Level: 3 | Type: Theory | Credits: 4.0 |
| Course Code | Course Name | Instructor(s) |
|---|---|---|
| CH3103 | Quantum Chemistry II | Ashwani Kumar Tiwari |
| Syllabus |
|---|
| 1. Hydrogen Atom: Power-series solution and Ladder Operator Approach.
2. Variational Methods: Proof of theorem, linear variation method, variational treatment of Helium atom. 3. Perturbation Theory: First and second order corrections to wave function and energy for non-degenerate states, perturbation theory for degenerate energy level, application of perturbation theory to Helium and Lithium atoms, time-dependent perturbation theory. 4. Many-Electron atoms: Concept of spins, Pauli-exclusion principle, Slater determinants, Hartree-Fock for atoms, Concept of electron correlations, Term Symbols. 5. Molecules: BO approximation, concepts of adiabatic and non-adiabatic approximations, VB and MO methods, solutions for H2 and H2+ molecules, Term symbol for diatomic molecules. 6. TDQM and Reaction Dynamics: Introduction to transition state and quantum dynamical theories for reaction dynamics. |
| References |
|---|
| 1. Quantum Chemistry by I. N. Levine, Prentice-Hall, New Jersey, (2000).
2. Quantum Mechanics by D.W. McQuarrie, Oxford University Press, Oxford, (1983). 3. Molecular Quantum Mechanics by P.W. Atkins and R. S. Friedman, Oxford University Press, Oxford, (1996). |
Course Credit Options
| Sl. No. | Programme | Semester No | Course Choice |
|---|---|---|---|
| 1 | IP | 1 | Not Allowed |
| 2 | IP | 3 | Not Allowed |
| 3 | IP | 5 | Not Allowed |
| 4 | MP | 1 | Not Allowed |
| 5 | MP | 3 | Not Allowed |
| 6 | MR | 1 | Elective |
| 7 | MR | 3 | Not Allowed |
| 8 | MS | 3 | Not Allowed |
| 9 | MS | 5 | Core |
| 10 | MS | 7 | Not Allowed |
| 11 | MS | 9 | Not Allowed |
| 12 | RS | 1 | Not Allowed |
| 13 | RS | 2 | Not Allowed |